U4Pt8Pb
Alexandria ALEXAlex-ID: agm097962903 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1204_spg6
UPt3 UPt Pb
2025-06-18 06:09:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097962903).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm097962903
data_agm097962903
_cell_length_a 4.20077
_cell_length_b 8.50234
_cell_length_c 8.27321
_cell_angle_alpha 114.11150
_cell_angle_beta 89.99980
_cell_angle_gamma 90.00008
_cell_volume 269.70808
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
U1 U 0.15385 0.96054 0.13135 1.00000
U2 U 0.15385 0.56521 0.13631 1.00000
U3 U 0.65385 0.53552 0.52712 1.00000
U4 U 0.15385 0.14032 0.58080 1.00000
Pt1 Pt 0.65385 0.71413 0.96236 1.00000
Pt2 Pt 0.65384 0.34612 0.16375 1.00000
Pt3 Pt 0.65385 0.34554 0.82208 1.00000
Pt4 Pt 0.15384 0.75240 0.51802 1.00000
Pt5 Pt 0.65386 0.16578 0.36246 1.00000
Pt6 Pt 0.65384 0.82732 0.32986 1.00000
Pt7 Pt 0.15385 0.52105 0.74404 1.00000
Pt8 Pt 0.15384 0.18123 0.93858 1.00000
Pb1 Pb 0.65383 0.94485 0.78327 1.00000
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